HRID2158125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID738682

未命名化合物

PRODUCTS

生成物

结构：C=CCn1c(N2CC(C)NC(C)C2)nc2c1c(=O)n(C)c(=O)n2C

HCID22029907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83edce7aaebd4417858b36ac28e16900
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH:2]=[CH2:3])[n:4]1[c:5]([Cl:17])[n:6][c:7]2[n:8]([CH3:16])[c:9](=[O:15])[n:10]([CH3:14])[c:11](=[O:13])[c:12]12.[CH3:18][CH:19]1[NH:20][CH:21]([CH3:25])[CH2:22][NH:23][CH2:24]1.[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[N:26]12[CH2:27][CH2:28][CH2:29][N:30]=[C:31]1[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2.[OH2:50]>>[CH2:1]([CH:2]=[CH2:3])[n:4]1[c:5]([N:23]2[CH2:22][CH:21]([CH3:25])[NH:20][CH:19]([CH3:18])[CH2:24]2)[n:6][c:7]2[n:8]([CH3:16])[c:9](=[O:15])[n:10]([CH3:14])[c:11](=[O:13])[c:12]12